Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 20/20 | 0.58 |
| ▸ | HTR2B | P41595 | 16/20 | 0.58 |
| ▸ | HTR2A | P28223 | 15/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30038539 | 0.89 | HTR2C (0.58) | HTR2CHTR2BHTR2ACYP1A2 | |
| SCHEMBL30038735 | 0.85 | HTR2C (0.55) | HTR2CHTR2BHTR2ACYP1A2KDM4E | |
| SCHEMBL8525356 | 0.83 | HTR2C (0.48) | HTR2CHTR2BHTR2ACYP1A2CYP2C9 | |
| SCHEMBL7981950 | 0.80 | HTR2C (0.59) | HTR2CHTR2BHTR2ACYP1A2MEN1 | |
| SCHEMBL13928803 | 0.78 | AR (0.52) | HTR2CHTR2BHTR2ACYP1A2KDM4E | |
| SCHEMBL19427956 | 0.78 | HTR2C (0.51) | HTR2CHTR2BHTR2ACYP1A2LMNA | |
| SCHEMBL7477945 | 0.77 | NOTUM (0.50) | HTR2CHTR2BHTR2ACYP1A2LMNA | |
| SCHEMBL7079140 | 0.77 | HTR2C (0.59) | HTR2CHTR2BHTR2ACYP1A2KDM4E | |
| SCHEMBL8472497 | 0.77 | HTR2C (0.70) | HTR2CHTR2BHTR2ACYP1A2 | |
| SCHEMBL7082830 | 0.77 | HTR2C (0.72) | HTR2CHTR2BHTR2ACYP1A2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | claimed |
| US-6274594-B1 | ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-08-14 | — | — | US | disclosed |
| EP-1032570-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM PLC (GB) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999025709-A1 | ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-27 | — | — | WO | disclosed |